SCHEMBL423588

SCHEMBL423588

COc1cc(C(F)(F)F)cc(C)c1C1=NC(C)(C)CO1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
IL2 P60568 1/20 0.33
CRHR1 P34998 1/20 0.33
PDE2A O00408 2/20 0.31
PDE10A Q9Y233 2/20 0.31
PDE6D O43924 1/20 0.31
PDE6A P16499 1/20 0.31
PDE6G P18545 1/20 0.31
PDE6B P35913 1/20 0.31
PDE6C P51160 1/20 0.31
PDE6H Q13956 1/20 0.31
CTSA P10619 2/20 0.31
LRRK2 Q5S007 2/20 0.31
GAA P10253 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL422345 0.93 KDM4E (0.39) KDM4ELMNAMAPTHTTCRHR1
SCHEMBL6885325 0.91 KDM4E (0.35) KDM4ELMNAMAPTHTTIL2
SCHEMBL422974 0.87 KDM4E (0.42) KDM4ELMNAMAPTHTTIL2
SCHEMBL2310537 0.85 KDM4E (0.33) KDM4ELMNAMAPTHTTCRHR1
SCHEMBL422793 0.79 KDM4E (0.39) KDM4ELMNAMAPTHTTCRHR1
SCHEMBL2311440 0.79 KDM4E (0.36) KDM4ELMNAMAPTHTTIL2
SCHEMBL10398549 0.72 KDM4E (0.40) KDM4ELMNAMAPTHTT
SCHEMBL7842188 0.72 KDM4E (0.43) KDM4ELMNAMAPTHTTIL2
SCHEMBL7023321 0.71 KDM4E (0.56) KDM4ELMNAMAPTHTT
SCHEMBL5532361 0.71 KDM4E (0.41) KDM4ELMNAMAPTHTTIL2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585456-B1 AMIDO-TROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-16 EP disclosed
EP-2585456-B1 AMIDO-TROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-16 EP disclosed
EP-2470498-B1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-02-11 EP disclosed
EP-2470498-B1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-02-11 EP disclosed
EP-2531190-B1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES HOFFMANN LA ROCHE (CH) 2014-07-23 EP disclosed
EP-2531190-B1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES HOFFMANN LA ROCHE (CH) 2014-07-23 EP disclosed
US-8524909-B2 Tetrahydro-pyran derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
US-8524909-B2 Tetrahydro-pyran derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
EP-2585456-A1 AMIDO-TROPANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-01 EP disclosed
US-8404673-B2 Carbocyclic GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8080541-B2 Carbocyclic GlyT-1 receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2011-12-20 US disclosed
US-8080541-B2 Carbocyclic GlyT-1 receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2011-12-20 US disclosed
WO-2011095434-A1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011095434-A1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 US disclosed
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
WO-2011023667-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 WO disclosed
WO-2011023667-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS GRIA1, GLRA1, GRIA3 KDM4E 4374/4885LMNA 4809/4885MAPT 161/4885
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES GLRA1, GRIA1, GLRA2 KDM4E 3657/4885LMNA 4733/4885MAPT 2380/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.